A Virtual Laboratory for Managing Computational Experiments

Abstract: Computational experiments have become essential for scientific discovery, allowing researchers to test hypotheses, analyze complex datasets, and validate findings. However, as computational experiments grow in scale and complexity, ensuring reproducibility and managing detailed metadata becomes increasingly challenging, especially when orchestrating complex sequence of computational tasks. To address these challenges we have developed a virtual laboratory called SCHEMA lab, focusing on capturing rich metadata such as experiment configurations and performance metrics, to support computational reproducibility. SCHEMA lab enables researchers to create experiments by grouping together multiple executions and manage them throughout their life cycle. In this demonstration paper, we present the SCHEMA lab architecture, core functionalities, and implementation, emphasizing its potential to significantly enhance reproducibility and efficiency in computational research.